6-chloro-5-methylpyridazin-3-amine

• ChemBase ID: 289642
• Molecular Formular: C5H6ClN3
• Molecular Mass: 143.57424
• Monoisotopic Mass: 143.02502489
• SMILES: Nc1nnc(Cl)c(C)c1
• Canonical SMILES: Nc1nnc(c(c1)C)Cl
• InChI: InChI=1S/C5H6ClN3/c1-3-2-4(7)8-9-5(3)6/h2H,1H3,(H2,7,8)
• InChIKey: UWDLNRUFHRYMSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-5-methylpyridazin-3-amine
• IUPAC Traditional name: 6-chloro-5-methylpyridazin-3-amine
• Synonyms: 6-Chloro-5-methylpyridazin-3-amine

Database IDs

• CAS Number: 66346-87-0
• PubChem SID: 180675173
• PubChem CID: 12353663

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.87134933
• LogD (pH = 7.4): 0.8788814
• Log P: 0.87897825
• Molar Refractivity: 39.6856 cm^3
• Polarizability: 13.4375515 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%